[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C23H19FN2O4 — CID 136963072

IUPAC[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(C5(CO)CC5)cc4)cc23)on1
InChIInChI=1S/C23H19FN2O4/c1-12-8-19(30-26-12)21(28)20-16-9-15(17(24)10-18(16)25-22(20)29)13-2-4-14(5-3-13)23(11-27)6-7-23/h2-5,8-10,25,27,29H,6-7,11H2,1H3
InChIKeyHRWOJBJWZIJWBP-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.23
Rot. Bonds5

About [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 136963072) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID136963072
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(C5(CO)CC5)cc4)cc23)on1
InChIInChI=1S/C23H19FN2O4/c1-12-8-19(30-26-12)21(28)20-16-9-15(17(24)10-18(16)25-22(20)29)13-2-4-14(5-3-13)23(11-27)6-7-23/h2-5,8-10,25,27,29H,6-7,11H2,1H3
InChIKeyHRWOJBJWZIJWBP-UHFFFAOYSA-N
XLogP4.23
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 136963072) is [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)c2c(O)[nH]c3cc(F)c(-c4ccc(C5(CO)CC5)cc4)cc23)on1.
What is the InChIKey of [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is HRWOJBJWZIJWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-12-8-19(30-26-12)21(28)20-16-9-15(17(24)10-18(16)25-22(20)29)13-2-4-14(5-3-13)23(11-27)6-7-23/h2-5,8-10,25,27,29H,6-7,11H2,1H3.
What are the key properties of [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 406.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 136963072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).